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WOODWARDINOSIDE-B;WOODWARDINE-B-9-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 9TaRu4x1uvM
InChI InChI=1S/C51H82O22/c1-24(2)17-18-31(67-8)38(58)37(57)29(54)16-10-15-28-20-30(55)35(27(5)36(28)56)26(4)14-9-12-25(3)13-11-19-51(6,7)73-50-46(66)47(72-49-45(65)43(63)40(60)33(22-53)70-49)41(61)34(71-50)23-68-48-44(64)42(62)39(59)32(21-52)69-48/h9-14,16-18,20,24,26-27,29-35,37-50,52-55,57-66H,15,19,21-23H2,1-8H3/b13-11+,14-9+,16-10+,18-17+,25-12+/t26-,27+,29-,30-,31-,32-,33+,34+,35+,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
InChIKey UIZDPCXWYKGRTL-OAPIGSRHSA-N
Mol Weight 1047.2 g/mol
Molecular Formula C51H82O22
Exact Mass 1046.529774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZFvpdxWSOk
Name WOODWARDINOSIDE-B;WOODWARDINE-B-9-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H82O22
InChI InChI=1S/C51H82O22/c1-24(2)17-18-31(67-8)38(58)37(57)29(54)16-10-15-28-20-30(55)35(27(5)36(28)56)26(4)14-9-12-25(3)13-11-19-51(6,7)73-50-46(66)47(72-49-45(65)43(63)40(60)33(22-53)70-49)41(61)34(71-50)23-68-48-44(64)42(62)39(59)32(21-52)69-48/h9-14,16-18,20,24,26-27,29-35,37-50,52-55,57-66H,15,19,21-23H2,1-8H3/b13-11+,14-9+,16-10+,18-17+,25-12+/t26-,27+,29-,30-,31-,32-,33+,34+,35+,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
InChIKey UIZDPCXWYKGRTL-OAPIGSRHSA-N
Literature Reference Author T.REZANKA,V.M.DEMBITSKY,L.O.HANUS
Literature Reference Citation PHYTOCHEM.,63,931(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00358-3
Molecular Weight 1047.199 g/mol
Solvent C5D5N:CD3OD=1:1
Source File Reference UWMS28437